(4-cyanophenyl)methyl 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: (4-cyanophenyl)methyl 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: (4-cyanophenyl)methyl 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propionic acid (4-cyanobenzyl) ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H23N3O3/c1-16-22(17(2)26(25-16)20-5-4-6-21(13-20)28-3)11-12-23(27)29-15-19-9-7-18(14-24)8-10-19/h4-10,13H,11-12,15H2,1-3H3